SCHEMBL21021898

SCHEMBL21021898

C=C(C)C1C(c2cc(Cl)cc(Br)c2)C1(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.35
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21021786 0.83 SLC9A1 (0.36) SLC9A1MEN1LMNAMAPTMAPK1
SCHEMBL20076418 0.81 MEN1 (0.30) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL18144150 0.79 SLC9A1 (0.39) SLC9A1MEN1LMNAMAPTMAPK1
SCHEMBL18144156 0.79 SLC9A1 (0.39) SLC9A1MEN1LMNAMAPTMAPK1
SCHEMBL18144152 0.79 SLC9A1 (0.39) SLC9A1MEN1LMNAMAPTMAPK1
SCHEMBL21586658 0.76
SCHEMBL21021470 0.76 CYP3A4 (0.36) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL21021293 0.75 MEN1 (0.35) MEN1LMNAMAPTMAPK1KMT2A
SCHEMBL21021384 0.74 SLC9A1 (0.33) SLC9A1MEN1LMNAMAPTMAPK1
SCHEMBL21021894 0.74 MEN1 (0.31) SLC9A1MEN1LMNAMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed